CID 135483755

153815-93-1

Structural Information

Molecular Formula
C18H22N2O2
SMILES
CC1=C(N=C(NC1=O)OC2CCCCC2)CC3=CC=CC=C3
InChI
InChI=1S/C18H22N2O2/c1-13-16(12-14-8-4-2-5-9-14)19-18(20-17(13)21)22-15-10-6-3-7-11-15/h2,4-5,8-9,15H,3,6-7,10-12H2,1H3,(H,19,20,21)
InChIKey
WHDUVNDBXYBPBZ-UHFFFAOYSA-N
Compound name
4-benzyl-2-cyclohexyloxy-5-methyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

491
Patents

298.16812 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.17540 171.7
[M+Na]+ 321.15734 177.2
[M-H]- 297.16084 176.5
[M+NH4]+ 316.20194 182.9
[M+K]+ 337.13128 171.5
[M+H-H2O]+ 281.16538 161.2
[M+HCOO]- 343.16632 188.0
[M+CH3COO]- 357.18197 181.0
[M+Na-2H]- 319.14279 174.4
[M]+ 298.16757 167.5
[M]- 298.16867 167.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe